Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23968105 | 0.89 | MELK (0.39) | POLBMELKEGLN1MAPTDRD2 | |
| SCHEMBL23968168 | 0.80 | MELK (0.46) | MELKEGLN1MAPTMAP4K4DRD2 | |
| SCHEMBL23968001 | 0.80 | MELK (0.51) | MELKMAPTHTTMAP4K4DRD2 | |
| SCHEMBL23967998 | 0.79 | MELK (0.41) | MELKCNR2EGLN1MAPTDRD2 | |
| SCHEMBL23968153 | 0.77 | MELK (0.42) | MELKEGLN1MAPT | |
| SCHEMBL23968093 | 0.77 | MAP4K4 (0.54) | POLBMELKKCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23968099 | 0.77 | GRM4 (0.46) | MELKEGLN1DRD2DRD4DRD3 | |
| SCHEMBL23968162 | 0.76 | MELK (0.40) | MELKMAPTHTTSMN1; SMN2DRD2 | |
| SCHEMBL23968157 | 0.76 | MELK (0.40) | MELKEGLN1KCNH2MAPTDRD2 | |
| SCHEMBL23968008 | 0.75 | MELK (0.41) | MELKCNR2EGLN1MAPTMAP4K4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |